Molecular Identity
Dimethoate
2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide
PubChem CID: 3082
Dimethoate is a monocarboxylic acid amide that is N-methylacetamide in which one of the hydrogens of the methyl group attached to the carbonyl moiety is replaced by a (dimethoxyphosphorothioyl)sulfanediyl group. It has a role as an acaricide, an insecticide, an agrochemical, a xenobiotic, an EC 3.1.1.8 (cholinesterase) inhibitor, an EC 3.1.1.7 (acetylcholinesterase) inhibitor and an environmental contaminant. It is a monocarboxylic acid amide and an organic thiophosphate. It is functionally related to a N-methyl-2-sulfanylacetamide.
2D Structure
Properties
C5H12NO3PS2
Molecular Formula
229.30
Molecular Weight
g/mol
228.9996
Exact Mass
Da
0.8
XLogP
Drug-like (Lipinski: < 5)
105
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
191
Complexity
SMILES
Canonical SMILES
SMILES: CNC(=O)CSP(=S)(OC)OCIsomeric SMILES
SMILES: CNC(=O)CSP(=S)(OC)OCSynonyms(20)
dimethoate60-51-5PhosphamideRogorPerfekthionRoxionCygonDe-fendFostion MMAadimethoalFerkethionPerfecthionPhosphamidDapheneDimeton
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Dimethoate
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